1-[4-(methoxymethyl)piperidin-1-yl]-N,3,3-trimethylbutan-2-amine

C14H30N2O — CID 63973269

IUPAC1-[4-(methoxymethyl)piperidin-1-yl]-N,3,3-trimethylbutan-2-amine
SMILESCNC(CN1CCC(COC)CC1)C(C)(C)C
InChIInChI=1S/C14H30N2O/c1-14(2,3)13(15-4)10-16-8-6-12(7-9-16)11-17-5/h12-13,15H,6-11H2,1-5H3
InChIKeyXNHMSTASBUZMKS-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.98
Rot. Bonds5

About 1-[4-(methoxymethyl)piperidin-1-yl]-N,3,3-trimethylbutan-2-amine

1-[4-(methoxymethyl)piperidin-1-yl]-N,3,3-trimethylbutan-2-amine (PubChem CID 63973269) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)piperidin-1-yl]-N,3,3-trimethylbutan-2-amine.

Molecular Properties

Compound Name1-[4-(methoxymethyl)piperidin-1-yl]-N,3,3-trimethylbutan-2-amine
PubChem CID63973269
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name1-[4-(methoxymethyl)piperidin-1-yl]-N,3,3-trimethylbutan-2-amine
SMILESCNC(CN1CCC(COC)CC1)C(C)(C)C
InChIInChI=1S/C14H30N2O/c1-14(2,3)13(15-4)10-16-8-6-12(7-9-16)11-17-5/h12-13,15H,6-11H2,1-5H3
InChIKeyXNHMSTASBUZMKS-UHFFFAOYSA-N
XLogP1.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(methoxymethyl)piperidin-1-yl]-3,3-dimethyl-N-propylbutan-2-amine
CID 63973458
1-[3-(methoxymethyl)pyrrolidin-1-yl]-N,4,4-trimethylpentan-3-amine
CID 64583577
3-[4-(methoxymethyl)piperidin-1-yl]-2-(methylamino)propan-1-ol
CID 64790398
N,3,3-trimethyl-1-(4-methylazepan-1-yl)butan-2-amine
CID 63622402
3-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 63979502
(3S)-3-(methoxymethyl)-1-(2-methylpropyl)pyrrolidine
CID 89358409
1-cyclopropyl-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 63971523
1-[2-(bromomethyl)-3,3-dimethylbutyl]-3-(methoxymethyl)pyrrolidine
CID 65015225
6-[4-(methoxymethyl)piperidin-1-yl]-N-methylhexan-2-amine
CID 63973848
3-[4-(methoxymethyl)piperidin-1-yl]-2-(propan-2-ylamino)propan-1-ol
CID 64791193
1-(ethylamino)-3-[4-(methoxymethyl)piperidin-1-yl]propan-2-ol
CID 63972481
4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methylbutan-2-amine
CID 64568719

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)piperidin-1-yl]-N,3,3-trimethylbutan-2-amine?
The IUPAC name of 1-[4-(methoxymethyl)piperidin-1-yl]-N,3,3-trimethylbutan-2-amine (CID 63973269) is 1-[4-(methoxymethyl)piperidin-1-yl]-N,3,3-trimethylbutan-2-amine.
What is the SMILES notation for 1-[4-(methoxymethyl)piperidin-1-yl]-N,3,3-trimethylbutan-2-amine?
The canonical SMILES for 1-[4-(methoxymethyl)piperidin-1-yl]-N,3,3-trimethylbutan-2-amine is CNC(CN1CCC(COC)CC1)C(C)(C)C.
What is the InChIKey of 1-[4-(methoxymethyl)piperidin-1-yl]-N,3,3-trimethylbutan-2-amine?
The InChIKey is XNHMSTASBUZMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-14(2,3)13(15-4)10-16-8-6-12(7-9-16)11-17-5/h12-13,15H,6-11H2,1-5H3.
What are the key properties of 1-[4-(methoxymethyl)piperidin-1-yl]-N,3,3-trimethylbutan-2-amine?
1-[4-(methoxymethyl)piperidin-1-yl]-N,3,3-trimethylbutan-2-amine has a molecular weight of 242.41 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)piperidin-1-yl]-N,3,3-trimethylbutan-2-amine is sourced from PubChem (CID 63973269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).